4- (3-Fluorobenzyloxy) benzaldehyde

CAT: 0013-GTR19267391-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19267391-01Size:50 mg

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Description

4- (3-Fluorobenzyloxy) benzaldehyde is a pharmaceutical intermediate employed in the synthesis of various active compounds.

CAS Number

66742-57-2

Smiles

O=CC1=CC=C (OCC=2C=CC=C (F) C2) C=C1

Molecular Formula

C14H11FO2

Molecular Weight

230.23

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-[(3-Fluorophenyl)methoxy]benzaldehyde

See also: 4-(3-Fluorbenzyloxy)benzaldehyde (annotation moved to).

CAS Number	66742-57-2
PubChem CID	880119
IUPAC Name	4-[(3-fluorophenyl)methoxy]benzaldehyde
Molecular Formula	C14H11FO2
Molecular Weight	230.23
XLogP	2.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	236

SMILES

C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C=O

InChI

InChI=1S/C14H11FO2/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-9H,10H2

InChIKey

DNKSIIHRKWTIRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66742-57-2

CID: 880119

Formula: C14H11FO2

MW: 230.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	230.23
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	230.07430775
Monoisotopic Mass	230.07430775
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
TYD-03036-01	4- (3-Fluorobenzyloxy) benzaldehyde
sc-261335	4- (4-Fluorobenzyloxy) benzaldehyde
sc-266296	3- (2-Chloro-6-fluorobenzyloxy) benzaldehyde
sc-265163	2- (2-Chloro-6-fluorobenzyloxy) benzaldehyde
PC9200	4- (2-Chloro-6-fluorobenzyloxy) benzaldehyde
ZAA08309-01	3- (Hexyloxy) benzaldehyde
PNA06276-01	3- (Methylamino) benzaldehyde
RVB78007-01	3- (Cyclobutylmethoxy) benzaldehyde
UQB44659-01	3- (cyclohexylmethoxy) benzaldehyde
EEA50827-01	3- (Phenoxymethyl) benzaldehyde

4- (3-Fluorobenzyloxy) benzaldehyde

Chemical Information

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